Basic information
- Name:
Uridine 5'-(trihydrogendiphosphate), P'-a-D-glucopyranosylester
- CAS No.:
133-89-1
- Molecular Structure:
- Formula:
- C15H24N2O17P2
- Molecular Weight:
- 566.301782
- Synonyms:
- Uridine5'-(trihydrogen pyrophosphate), mono-a-D-glucopyranosyl ester (8CI);Uridine 5'-pyrophosphate,a-D-glucopyranosyl ester(6CI,7CI);UDP-D-glucose;UDP-Glc;UDP-Glucose;UDP-a-D-Glucose;UDPG;Uridine 5'-(trihydrogenpyrophosphate), mono-D-glucosyl ester;Uridine 5'-(a-D-glucopyranosyl pyrophosphate);Uridine5'-diphosphate glucose;Uridine 5'-diphospho-a-D-glucose;Uridine 5'-diphosphoglucose;Uridinediphosphate glucose;Uridine diphospho-D-glucose;Uridine diphosphoglucose;Uridine pyrophosphate-glucose;
- EINECS:
- 205-121-4
- Density:
- 1.97 g/cm3
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Specification
The Uridine 5'-(trihydrogendiphosphate), P'-alpha-D-glucopyranosylester is an organic compound with the formula C15H24N2O17P2. The systematic name of this chemical is [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate ( non-preferred name). With the CAS registry number 133-89-1, it is also named as Uridine 5'-Pyrophosphate Glucose Ester.
Physical properties about Uridine 5'-(trihydrogendiphosphate), P'-alpha-D-glucopyranosylester are: (1)ACD/LogP: -4.51; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -9.01; (4)ACD/LogD (pH 7.4): -9.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 19; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 214.37 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 107.32 cm3; (15)Molar Volume: 286.2 cm3; (16)Polarizability: 42.54×10-24cm3; (17)Surface Tension: 125 dyne/cm; (18)Density: 1.97 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)(O)OP(=O)(O)OC[C@H]3O[C@@H](N2/C=C\C(=O)NC2=O)[C@H](O)[C@@H]3O
(2)InChI: InChI=1/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
(3)InChIKey: HSCJRCZFDFQWRP-JZMIEXBBBU
(4)Std. InChI: InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
(5)Std. InChIKey: HSCJRCZFDFQWRP-JZMIEXBBSA-N